1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine

C10H16F2N4 — CID 174286889

IUPAC1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)Cn1nccc1CN1CCNCC1
InChIInChI=1S/C10H16F2N4/c11-10(12)8-16-9(1-2-14-16)7-15-5-3-13-4-6-15/h1-2,10,13H,3-8H2
InChIKeyDLNHAZPFZINOOJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.55
Rot. Bonds4

About 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine

1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine (PubChem CID 174286889) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine
PubChem CID174286889
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)Cn1nccc1CN1CCNCC1
InChIInChI=1S/C10H16F2N4/c11-10(12)8-16-9(1-2-14-16)7-15-5-3-13-4-6-15/h1-2,10,13H,3-8H2
InChIKeyDLNHAZPFZINOOJ-UHFFFAOYSA-N
XLogP0.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine (CID 174286889) is 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine is FC(F)Cn1nccc1CN1CCNCC1.
What is the InChIKey of 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is DLNHAZPFZINOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c11-10(12)8-16-9(1-2-14-16)7-15-5-3-13-4-6-15/h1-2,10,13H,3-8H2.
What are the key properties of 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine?
1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine has a molecular weight of 230.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 174286889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).